SCHEMBL8038196

SCHEMBL8038196

CCCCCCCCc1ccc(-c2c(F)cc3cc(CCCCCC)ccc3c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.47
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
HTR2A P28223 1/20 0.44
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14526059 0.90 GCGR (0.45) RARBRARARARGHTR2AHSD17B10
SCHEMBL7920156 0.89 MEN1 (0.43) RARBRARARARGALDH1A1LMNA
SCHEMBL7928543 0.83 DHODH (0.38) RARBRARARARGHSD17B10ALDH1A1
SCHEMBL5722722 0.82 PTGS2 (0.50) RARBRARARARGHSD17B10TSHR
SCHEMBL7557837 0.82 RARB (0.45) RARBRARARARGHTR2AHSD17B10
SCHEMBL7926802 0.81 PTGS2 (0.46) RARBRARARARGHTR2AHSD17B10
SCHEMBL13002918 0.80 RARB (0.33) RARBRARARARGTSHRTP53
SCHEMBL5722885 0.79 MEN1 (0.43) RARBRARARARGALDH1A1LMNA
SCHEMBL3167793 0.79 RARB (0.41) RARBRARARARGDHODH
SCHEMBL6059923 0.79 RARB (0.41) RARBRARARARGDHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159561-A FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICES HOECHST AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
EP-0946474-A1 1,3-DIFLUORONAPTHALENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
WO-1998027037-A1 1,3-DIFLUORONAPTHALENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed